Chlorine in PDB 7d1b: Crystal Structure of Fimbriiglobus Ruber Glutaminyl Cyclase

The structure of Crystal Structure of Fimbriiglobus Ruber Glutaminyl Cyclase, PDB code: 7d1b was solved by K.-F.Huang, J.-S.Huang, M.-L.Wu, W.-L.Hsieh, A.H.-J.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.97 / 1.24
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.206, 73.436, 87.427, 90, 90, 90
R / Rfree (%)	11.1 / 12.5

The structure of Crystal Structure of Fimbriiglobus Ruber Glutaminyl Cyclase also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Fimbriiglobus Ruber Glutaminyl Cyclase (pdb code 7d1b). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Fimbriiglobus Ruber Glutaminyl Cyclase, PDB code: 7d1b:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Fimbriiglobus Ruber Glutaminyl Cyclase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Fimbriiglobus Ruber Glutaminyl Cyclase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl802 b:16.2 occ:1.00 O A:HOH912 3.1 23.6 1.0 N A:ASP146 3.4 15.2 1.0 CB A:ASP146 3.6 17.4 1.0 NH1 A:ARG147 3.6 15.0 1.0 N A:PRO145 3.7 14.2 1.0 CD A:PRO145 3.7 15.9 1.0 CA A:PHE144 3.7 13.6 1.0 C A:PHE144 3.7 13.6 1.0 CA A:ASP146 4.0 15.7 1.0 CB A:PHE144 4.2 13.8 1.0 CG A:ASP146 4.2 20.1 0.3 CG A:PRO145 4.3 17.8 1.0 CZ A:ARG147 4.3 13.8 1.0 O A:PHE144 4.4 13.6 1.0 C A:PRO145 4.4 15.6 1.0 O A:ASP146 4.4 15.5 1.0 C A:ASP146 4.5 15.2 1.0 OD2 A:ASP146 4.5 20.5 0.3 CA A:PRO145 4.6 16.1 1.0 NH2 A:ARG147 4.6 15.3 1.0 O1 A:GOL809 4.6 24.7 1.0 C1 A:GOL809 4.8 24.0 1.0 OD1 A:ASP146 4.9 23.5 0.3 N A:PHE144 4.9 13.1 1.0 CG A:ASP146 5.0 17.2 0.7

Chlorine binding site 2 out of 3 in the Crystal Structure of Fimbriiglobus Ruber Glutaminyl Cyclase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Fimbriiglobus Ruber Glutaminyl Cyclase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl803 b:19.8 occ:1.00 O3 A:GOL807 2.9 28.6 1.0 O A:HOH1056 3.1 29.6 1.0 N A:ASN280 3.2 13.4 1.0 C A:ALA278 3.4 12.5 1.0 CA A:ALA278 3.5 13.2 1.0 N A:LEU281 3.6 12.2 1.0 N A:PRO279 3.6 13.2 1.0 CB A:ASN280 3.7 15.8 1.0 C3 A:GOL807 3.7 26.3 1.0 CA A:ASN280 3.8 13.7 1.0 CD A:PRO279 3.8 14.9 1.0 O A:ALA278 3.9 12.4 1.0 CB A:PRO322 4.0 14.5 1.0 C A:ASN280 4.2 12.7 1.0 CB A:ALA278 4.2 13.9 1.0 C A:PRO279 4.2 12.5 1.0 ND2 A:ASN280 4.2 23.7 0.4 CG A:ASN280 4.2 19.6 0.4 CG A:PRO322 4.3 17.1 1.0 CG A:PRO279 4.4 16.8 1.0 CB A:LEU281 4.4 12.7 1.0 CA A:PRO279 4.4 13.7 1.0 O A:GLY277 4.6 15.3 1.0 CA A:LEU281 4.6 12.4 1.0 N A:ALA278 4.7 13.1 1.0 O A:HOH1148 4.8 49.1 1.0 CG A:ASN280 5.0 13.9 0.6

Chlorine binding site 3 out of 3 in the Crystal Structure of Fimbriiglobus Ruber Glutaminyl Cyclase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Fimbriiglobus Ruber Glutaminyl Cyclase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl804 b:27.4 occ:1.00 O A:HOH1178 2.9 31.2 1.0 ND1 A:HIS335 3.1 16.9 1.0 NE2 A:GLN165 3.1 26.5 1.0 NH1 A:ARG160 3.8 16.0 1.0 CG A:GLN165 3.9 20.6 1.0 CB A:HIS164 3.9 17.5 1.0 CZ A:ARG160 4.0 14.5 1.0 O A:HOH1075 4.0 35.3 1.0 CE1 A:HIS335 4.0 14.8 1.0 CD A:GLN165 4.0 25.3 1.0 CG A:HIS335 4.0 15.6 1.0 CH2 A:TRP334 4.1 21.2 1.0 CB A:HIS335 4.2 16.1 1.0 NE A:ARG160 4.3 15.1 1.0 CZ2 A:TRP334 4.4 19.7 1.0 N A:GLN165 4.4 17.5 1.0 C A:HIS164 4.4 18.1 1.0 NH2 A:ARG160 4.4 15.7 1.0 CZ3 A:TRP334 4.5 20.4 1.0 O A:HOH1125 4.5 38.7 1.0 CA A:HIS164 4.7 16.8 1.0 O A:HIS164 4.8 19.8 1.0 O A:HOH1046 4.8 35.5 1.0 CB A:GLN165 5.0 19.3 1.0 CA A:GLN165 5.0 17.8 1.0

K.F.Huang, J.S.Huang, M.L.Wu, W.L.Hsieh, K.C.Hsu, H.L.Hsu, T.P.Ko, A.H-J Wang. A Unique Carboxylic-Acid Hydrogen-Bond Network (Cahbn) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes. J.Mol.Biol. 66960 2021.
ISSN: ESSN 1089-8638
PubMed: 33774034
DOI: 10.1016/J.JMB.2021.166960